4,6-Dimethyl-2-(phenylthio)pyrimidine
TL;DR: 4,6-Dimethyl-2-(phenylthio)pyrimidine (CAS 92902-64-2) is a chemical compound with molecular formula C12H12N2S and molecular weight 216.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dimethyl-2-phenylsulfanylpyrimidine
Also Known As: 4,6-dimethyl-2-(phenylthio)pyrimidine, 4,6-dimethyl-2-(phenylsulfanyl)pyrimidine, 4,6-dimethyl-2-phenylthiopyrimidine, BAS 01117856, 2-(Phenylthio)-4,6-dimethylpyrimidine
| Molecular Formula | C12H12N2S |
|---|---|
| Molecular Weight | 216.07 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 51.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 216.07211 |
| Heavy Atoms | 15 |
| Complexity | 182.0 |
Chemical Identifiers
| CAS Number | 92902-64-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC2=CC=CC=C2)C |
| InChIKey | IARGOCVSIPNAQQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dimethyl-2-(phenylthio)pyrimidine (CAS 92902-64-2), with molecular formula C12H12N2S and molecular weight 216.07 g/mol. IUPAC: 4,6-dimethyl-2-phenylsulfanylpyrimidine.
Chemical Property Profile of 4,6-Dimethyl-2-(phenylthio)pyrimidine
Property Insights of 4,6-Dimethyl-2-(phenylthio)pyrimidine
The XLogP value of 3.4 indicates that 4,6-Dimethyl-2-(phenylthio)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.1 Ų, 4,6-Dimethyl-2-(phenylthio)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-Dimethyl-2-(phenylthio)pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4,6-Dimethyl-2-(phenylthio)pyrimidine?
The CAS number of 4,6-Dimethyl-2-(phenylthio)pyrimidine is 92902-64-2.
What is the molecular formula of 4,6-Dimethyl-2-(phenylthio)pyrimidine?
The molecular formula of 4,6-Dimethyl-2-(phenylthio)pyrimidine is C12H12N2S.
What is the molecular weight of 4,6-Dimethyl-2-(phenylthio)pyrimidine?
The molecular weight of 4,6-Dimethyl-2-(phenylthio)pyrimidine is 216.07 g/mol.
Where can I buy 4,6-Dimethyl-2-(phenylthio)pyrimidine?
You can request a quote for 4,6-Dimethyl-2-(phenylthio)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dimethyl-2-(phenylthio)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dimethyl-2-(phenylthio)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.